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"Achieving performance portability in Gaussian basis set density functional ..."

David B. Williams-Young et al. (2021)

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DOI: 10.1016/J.PARCO.2021.102829

access: closed

type: Journal Article

metadata version: 2022-12-07

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David B. Williams-Young, Abhishek Bagusetty, Wibe A. de Jong, Douglas Doerfler, Hubertus Johannes Jacobus Van Dam, Álvaro Vázquez-Mayagoitia, Theresa L. Windus, Chao Yang:
Achieving performance portability in Gaussian basis set density functional theory on accelerator based architectures in NWChemEx. Parallel Comput. 108: 102829 (2021)

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